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CS-W001157 4
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6-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one

  • CAS No. 16555-98-9

  • Cat. No. CS-0328579
  • Molecule weight218.21
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

6-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one|CS-0328579

Structure of 16555-98-9

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General Information

  • CAS No. 16555-98-9
  • Cat. No. CS-0328579
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₄
  • Molecular Weight 218.21
  • Synonym(s) 6-ethanoyl-7-hydroxy-4-methyl-chromen-2-one
  • SMILES CC1=CC(=O)OC2=CC(=C(C=C12)C(=O)C)O

Synthesis

  • Route1

    References

    • Khaligh, Nader Ghaffari; Shirini, Farhad Ultrasonics Sonochemistry, 2013 , vol. 20, # 1 p. 26 - 31,6
  • Route2

    References

    • Yadav, Preeti; Satapathi, Soumitra; Kumari, Meena; Chaturvedi, Akanksha; Li, Lian; Samuelson, Lynne A.; Kumar, Jayant; Sharma, Sunil K. Journal of Photochemistry and Photobiology A: Chemistry, 2014 , vol. 280, p. 39 - 45
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 4 p. 1624 - 1638

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   67.51
  • LogP   2.00962
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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